5IXJ
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with L-threonine non-covalently bound in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.718, 112.367, 160.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.540 |
| R-factor | 0.17607 |
| Rwork | 0.175 |
| R-free | 0.19486 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dw3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.176 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.064 | 1.403 |
| Number of reflections | 214599 | |
| <I/σ(I)> | 19.4 | 1.3 |
| Completeness [%] | 98.9 | 78.1 |
| Redundancy | 9.8 | 5.5 |
| CC(1/2) | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.85 | 298.15 | 15-25% PEG3350, 0.1 M HEPES pH 7.5 |
